From the optimized geometry of the compounds, vibrational frequencies, UV-Vis, molecular electrostatic potential distribution and frontier molecular orbitals were performed using same method and basis stets, and the results were compared with the experimental data
📌 3 Maddede Bu Makale
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Amaç & Hipotez:I n this study six new azo-azomethine dyes containing acryloyl group, 4-[[[4-[4′-methyl phenyl azo phenyl] imino] methyl] phenyl-2-propenoat, 4-[[[4-[4′- hydroxy phenylazo phenyl] imino] methyl] phenyl-2-propenoat, 4-[[[4- phenyl azo phenyl] imino] methyl]- phenyl-2-propenoat, 4-[[[4-[4′-chloro phenyl azo phenyl] imino] methyl] phenyl-2-propenoat, 4-[[[4-[4′- nitro phenyl azo phenyl] imino] methyl] phenyl-2propenoat were synthesized.
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Temel Bulgular & Veri:The acryloyl derivatives of the azo-azomethine dyes were prepared with metallic sodium and acryloyl chloride in 1:1 Molar ratio and characterized using elemental analysis, IR, UV-Vis, 1H-NMR and 13C-NMR spectroscopy.
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Sonuç & Katkı:From the optimized geometry of the compounds, vibrational frequencies, UV-Vis, molecular electrostatic potential distribution and frontier molecular orbitals were performed using same method and basis stets, and the results were compared with the experimental data
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Azo-Azomethine · Schiff bases · Imine group
Abstract
I n this study six new azo-azomethine dyes containing acryloyl group, 4-[[[4-[4′-methyl phenyl azo phenyl] imino] methyl] phenyl-2-propenoat, 4-[[[4-[4′- hydroxy phenylazo phenyl] imino] methyl] phenyl-2-propenoat, 4-[[[4- phenyl azo phenyl] imino] methyl]- phenyl-2-propenoat, 4-[[[4-[4′-chloro phenyl azo phenyl] imino] methyl] phenyl-2-propenoat, 4-[[[4-[4′- nitro phenyl azo phenyl] imino] methyl] phenyl-2propenoat were synthesized. The acryloyl derivatives of the azo-azomethine dyes were prepared with metallic sodium and acryloyl chloride in 1:1 Molar ratio and characterized using elemental analysis, IR, UV-Vis, 1H-NMR and 13C-NMR spectroscopy. The molecular geometry was also optimized using density functional theory DFT/B3LYP method with the 6-311G 2d,2p and cc-pvtz basis sets in ground state. From the optimized geometry of the compounds, vibrational frequencies, UV-Vis, molecular electrostatic potential distribution and frontier molecular orbitals were performed using same method and basis stets, and the results were compared with the experimental data
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